N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine
TL;DR: N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine (CAS 498562-20-2) is a chemical compound with molecular formula C9H12N4O5 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-(2-methoxyethyl)-4,6-dinitrobenzene-1,3-diamine
Also Known As: N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine, 3-N-(2-methoxyethyl)-4,6-dinitrobenzene-1,3-diamine, AO-081/40926699
| Molecular Formula | C9H12N4O5 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.1435 |
| Topological Polar Surface Area | 133.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.08078 |
| Heavy Atoms | 18 |
| Complexity | 476.27097 |
Chemical Identifiers
| CAS Number | 498562-20-2 |
|---|---|
| SMILES | COCCNC1=C(C=C(C(=C1)N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine (CAS 498562-20-2), with molecular formula C9H12N4O5 and molecular weight 256.08 g/mol. IUPAC: 3-N-(2-methoxyethyl)-4,6-dinitrobenzene-1,3-diamine.
Chemical Property Profile of N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine
Property Insights of N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine
The XLogP value of 1.1435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine. The TPSA of 133.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine. Following Lipinski's Rule of Five, N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
The CAS number of N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine is 498562-20-2.
What is the molecular formula of N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
The molecular formula of N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine is C9H12N4O5.
What is the molecular weight of N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
The molecular weight of N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine is 256.08 g/mol.
Where can I buy N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
You can request a quote for N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.